Chemical Properties of Neoisolongifolene, 8-bromo-

InChI

InChI=1S/C15H23Br/c1-13(2)7-6-12(16)15-8-5-10(9-11(13)15)14(15,3)4/h9-10,12H,5-8H2,1-4H3

InChI Key

DRISYGHYCMWXSH-UHFFFAOYSA-N

Formula

C15H23Br

SMILES

CC1(C)CCC(Br)C23CCC(C=C12)C3(C)C

Molecular Weight¹

283.25

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	236.23	kJ/mol	Joback Calculated Property
ΔfH°gas	-69.17	kJ/mol	Joback Calculated Property
ΔfusH°	14.18	kJ/mol	Joback Calculated Property
ΔvapH°	52.38	kJ/mol	Joback Calculated Property
log10WS	-5.22		Crippen Calculated Property
logPoct/wat	4.933		Crippen Calculated Property
McVol	202.830	ml/mol	McGowan Calculated Property
Pc	2358.78	kPa	Joback Calculated Property
Inp	[1639.00; 1639.00]
Inp	1639.00		NIST
Inp	1639.00		NIST
Tboil	633.04	K	Joback Calculated Property
Tc	880.87	K	Joback Calculated Property
Tfus	441.89	K	Joback Calculated Property
Vc	0.770	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[552.46; 673.73]	J/mol×K	[633.04; 880.87]
Cp,gas	552.46	J/mol×K	633.04	Joback Calculated Property
Cp,gas	573.44	J/mol×K	674.35	Joback Calculated Property
Cp,gas	593.40	J/mol×K	715.65	Joback Calculated Property
Cp,gas	612.87	J/mol×K	756.96	Joback Calculated Property
Cp,gas	632.40	J/mol×K	798.26	Joback Calculated Property
Cp,gas	652.51	J/mol×K	839.57	Joback Calculated Property
Cp,gas	673.73	J/mol×K	880.87	Joback Calculated Property

Similar Compounds

Find more compounds similar to Neoisolongifolene, 8-bromo-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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